N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine

C8H16N2O2S — CID 164648404

IUPACN-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine
SMILES[H]N=S(C)(=O)NC1CCC2CCC1O2
InChIInChI=1S/C8H16N2O2S/c1-13(9,11)10-7-4-2-6-3-5-8(7)12-6/h6-8H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQIPKLLCNFUOYCR-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.88
Rot. Bonds2

About N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine

N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine (PubChem CID 164648404) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound NameN-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine
PubChem CID164648404
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine
SMILES[H]N=S(C)(=O)NC1CCC2CCC1O2
InChIInChI=1S/C8H16N2O2S/c1-13(9,11)10-7-4-2-6-3-5-8(7)12-6/h6-8H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQIPKLLCNFUOYCR-UHFFFAOYSA-N
XLogP0.88
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
CID 130961479
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
CID 80601899
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 127002266
N-(7-oxabicyclo[2.2.1]heptan-2-yl)sulfamoyl chloride
CID 114958401
(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
CID 164648322
N-(methylsulfonimidoyl)-2-propan-2-ylcyclohexan-1-amine
CID 164644373
1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea
CID 130961494
CID 175781698
CID 175781698
1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
CID 80716199
4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
CID 106072866
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
3-bromo-N-(8-oxabicyclo[3.2.1]octan-2-yl)prop-2-ynamide
CID 130802888

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine?
The IUPAC name of N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine (CID 164648404) is N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine is [H]N=S(C)(=O)NC1CCC2CCC1O2.
What is the InChIKey of N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine?
The InChIKey is QIPKLLCNFUOYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(9,11)10-7-4-2-6-3-5-8(7)12-6/h6-8H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine?
N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine has a molecular weight of 204.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 164648404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).